SCHEMBL8580280

SCHEMBL8580280

CC(C)NC1=NSc2cc(Cl)cc([N+](=O)[O-])c2N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
AKR1B1 P15121 1/20 0.35
BRD4 O60885 1/20 0.32
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHUK O15111 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16974850 0.80
SCHEMBL8586659 0.78
SCHEMBL7950990 0.75 NT5E (0.42) HPGDCYP2C9
SCHEMBL11574982 0.72 L3MBTL1 (0.50) HPGDHCAR3ALDH1A1CYP1A2CYP3A4
SCHEMBL8581707 0.70 SNCA (0.46) CYP3A4MAPTTDP1POLBSMN1; SMN2
SCHEMBL8586383 0.70 NOX1 (0.34) HPGDALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL8586318 0.67 NR4A2 (0.34)
SCHEMBL16974919 0.67 ALDH1A1 (0.32) HPGDALDH1A1NPSR1
SCHEMBL2344742 0.66 GLP1R (0.31)
SCHEMBL7069158 0.65

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO disclosed